Inorganic Solid Phases

K15Li5[Ti6(C2O4)4P4W32O124]·51H2O (K15Li5Ti6W32[PO4]4[C2O4]4O108[H2O]51, T = 173(2) K) Crystal Structure

General Information

  • Phase Label(s): K15Li5Ti6W32[PO4]4[C2O4]4O108[H2O]51
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR4320
  • Space Group: 167
  • Phase Prototype: K15Li5Ti6W32[PO4]4[C2O4]4O108[H2O]51
  • Measurement Detail(s): automatic diffractometer; 9915 (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 605 variables; 9381 reflections; I > 2σ(I), R = 0.0993; wR = 0.2857
  • Sample Detail(s): sample prepared from K12[H2P2W12O48], LiCl, K2Ti[O][C2O4]2, HCl, KCl, chemical analysis, single crystal (determination of cell parameters), single crystal, 0.10×0.17×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K15Li5Ti6W32[PO4]4[C2O4]4O108[H2O]51
  • Alphabetic Formula: [C2O4]4[H2O]51K15Li5O108[PO4]4Ti6W32
  • Published Formula: K15Li5[Ti6(C2O4)4P4W32O124]·51H2O
  • Refined Formula: C8H72K6.50O176P4Ti6W32
  • Wyckoff Sequence: 167,f118e4
  • Z Formula Units: 18
  • Density: ρ = 2.99 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1643022

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied